SCHEMBL23536202

SCHEMBL23536202

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)CCc2ccccc2N2CCC(c3c(F)cccc3F)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
PAX8 Q06710 1/20 0.37
GRM2 Q14416 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPY5R Q15761 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23536152 0.90 LMNA (0.40) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL29931786 0.90 LMNA (0.40) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL29932096 0.81 ALDH1A1 (0.40) LMNAALDH1A1HTTTHRBNPSR1
SCHEMBL29932238 0.77 LMNA (0.38) LMNAALDH1A1HTTTHRBNPSR1
SCHEMBL23536015 0.77 PAX8 (0.37) MAPTLMNAL3MBTL1THRBKDM4E
SCHEMBL23536063 0.76 CXCR4 (0.47) MAPTLMNAALDH1A1L3MBTL1NPSR1
SCHEMBL23536124 0.76 TSHR (0.39) LMNAALDH1A1HTTL3MBTL1THRB
SCHEMBL29931867 0.76 TSHR (0.39) LMNAALDH1A1HTTL3MBTL1THRB
SCHEMBL23536515 0.72 MEN1 (0.34) LMNAL3MBTL1MEN1KDM4EPAX8
SCHEMBL23536136 0.72 TSHR (0.38) MAPTLMNAALDH1A1HTTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed